2-(butyldiazenyl)-2-methylbutanenitrile

C9H17N3 — CID 14647200

IUPAC2-(butyldiazenyl)-2-methylbutanenitrile
SMILESCCCC/N=N/C(C)(C#N)CC
InChIInChI=1S/C9H17N3/c1-4-6-7-11-12-9(3,5-2)8-10/h4-7H2,1-3H3/b12-11+
InChIKeyKUMNNBRQLQRXGJ-VAWYXSNFSA-N
MW167.26 g/mol
LogP2.93
Rot. Bonds5

About 2-(butyldiazenyl)-2-methylbutanenitrile

2-(butyldiazenyl)-2-methylbutanenitrile (PubChem CID 14647200) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(butyldiazenyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(butyldiazenyl)-2-methylbutanenitrile
PubChem CID14647200
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(butyldiazenyl)-2-methylbutanenitrile
SMILESCCCC/N=N/C(C)(C#N)CC
InChIInChI=1S/C9H17N3/c1-4-6-7-11-12-9(3,5-2)8-10/h4-7H2,1-3H3/b12-11+
InChIKeyKUMNNBRQLQRXGJ-VAWYXSNFSA-N
XLogP2.93
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butyldiazenyl)-2-methylbutanenitrile?
The IUPAC name of 2-(butyldiazenyl)-2-methylbutanenitrile (CID 14647200) is 2-(butyldiazenyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(butyldiazenyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(butyldiazenyl)-2-methylbutanenitrile is CCCC/N=N/C(C)(C#N)CC.
What is the InChIKey of 2-(butyldiazenyl)-2-methylbutanenitrile?
The InChIKey is KUMNNBRQLQRXGJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6-7-11-12-9(3,5-2)8-10/h4-7H2,1-3H3/b12-11+.
What are the key properties of 2-(butyldiazenyl)-2-methylbutanenitrile?
2-(butyldiazenyl)-2-methylbutanenitrile has a molecular weight of 167.26 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butyldiazenyl)-2-methylbutanenitrile is sourced from PubChem (CID 14647200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).